SCHEMBL6428552

SCHEMBL6428552

C=CCn1c(C)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
TP53 P04637 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 4/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.44
PKM P14618 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
RAB9A P51151 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31219282 1.00 PARP1 (0.48) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL1780398 0.82 TP53 (0.51) KDM4EALDH1A1TP53TSHRMEN1
SCHEMBL663628 0.80 LMNA (0.44) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL27835721 0.79 TP53 (0.51) KDM4EALDH1A1TP53TSHRMEN1
SCHEMBL28147868 0.79 MTNR1A (0.44) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL28147782 0.79 LMNA (0.43) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL2497590 0.78 LMNA (0.43) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL11803055 0.78 KDM4E (0.58) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL11667512 0.77 LMNA (0.42) PARP1KDM4EALDH1A1HPGDNPSR1
SCHEMBL668767 0.77 MEN1 (0.58) KDM4EALDH1A1TP53NPSR1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5140101-A None JP disclosed
JP-10168059-A None JP disclosed
US-20140288050-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-20050009903-A1 CB2-selective cannabinoid analogues CLEMSON UNIVERSITY 2005-01-13 US disclosed
JP-H10168059-A PRODUCTION OF 1-ALKYL-2-METHYLINDOLE YAMAMOTO CHEM INC 1998-06-23 JP disclosed
US-5410030-A Nucleic acid stains MOLECULAR PROBES, INC. (US) 1995-04-25 US disclosed
JP-H05140101-A PRODUCTION OF 1-ALKYL-2-METHYLINDOLE YAMAMOTO CHEM INC 1993-06-08 JP disclosed
US-4895958-A CHROMOGENS, IMAGES, PRESSURE SENSITIVE AND HEAT RESPONSIVE CARBONLESS DUPLICATING HILTON DAVIS CO. (US) 1990-01-23 US disclosed
US-4795736-A AMINOPHENYL PHENYLSULFONYL PROPENE/1-/ HILTON DAVIS CO. (US) 1989-01-03 US disclosed
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4322352-A Indolyl phthalide compounds STERLING DRUG INC. (US) 1982-03-30 US disclosed
US-4307018-A CHROMOGENS FOR COPYING SYSTEMS STERLING DRUG INC. (US) 1981-12-22 US disclosed
US-4275121-A Carbonless duplicating and marking systems utilizing indolyl-substituted furanone color formers STERLING DRUG INC. (US) 1981-06-23 US disclosed
US-4257954-A INDOLYL-PHENYLSULFONYL-PHENYL METHANE STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4251446-A COLOR PRECURSORS STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4189171-A PRESSURE SENSITIVE, THERMAL AND HECTOGRAPHIC SYSTEMS STERLING DRUG INC. (US) 1980-02-19 US disclosed
US-4102893-A Process for the manufacture of color formers of indoles and anhydrides of aromatic or heteroaromatic, vicinal dicarboxylic acids, new color formers of these classes of substance and their use CIBA-GEIGY AG (CH) 1978-07-25 US disclosed
US-4075224-A 3,5-Bis (indolyl)-5-(indolyl)-2(5H)-furanones STERLING DRUG INC. (US) 1978-02-21 US disclosed
US-4022802-A INDOLES, ALKALI HYDROXIDE; ALKYLATION CIBA-GEIGY AG (CH) 1977-05-10 US disclosed
US-3969346-A Naphtholactamcarbinols color formers, their manufacture and use in pressure-sensitive or thermoreactive recording material CIBA-GEIGY CORPORATION (US) 1976-07-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009903-A1 CB2-selective cannabinoid analogues CNR2, CNR1, GPR68 PARP1 1518/4885KDM4E 2063/4885ALDH1A1 3475/4885
US-20140288050-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF OPRM1, OPRK1, OPRL1 PARP1 4137/4885KDM4E 3046/4885ALDH1A1 1393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.